Update packaging (#42)

* Update deployment

* update changelog

* remove fetch depth

* fix tools typo

* install package during docs build

.github/workflows/docs.yaml

@@ -21,9 +21,7 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v3
-      with:
-        fetch-depth: 0         
+    - uses: actions/checkout@v4
 
     - name: setup_miniconda
       uses: conda-incubator/setup-miniconda@v2
@@ -38,7 +36,11 @@ jobs:
 
     - name: install dependencies
       run: |
-        pip install MDAnalysis msmb_theme
+        python -m pip install MDAnalysis
+
+    - name: install package
+      run: |
+        python -m pip install .
 
     - name: build docs
       run: |

.github/workflows/gh-ci.yaml

@@ -28,7 +28,7 @@ jobs:
     outputs:
       stable-python-version: ${{ steps.get-python-version.outputs.python-version }}
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
 
       - id: get-python-version
         uses: MDAnalysis/get-latest-python-version@main
@@ -43,7 +43,7 @@ jobs:
         matrix:
           # os: [macOS-latest, ubuntu-latest, windows-latest]
           os: [ubuntu-latest, macOS-latest]
-          python-version: ["3.9", "3.10", "3.11"]
+          python-version: ["3.9", "3.10", "3.11", "3.12"]
           mdanalysis-version: ["latest", "develop"]
 
     steps:
@@ -117,7 +117,7 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
 
     - name: Set up Python
       uses: actions/setup-python@v4
@@ -143,7 +143,7 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
 
     - name: Set up Python ${{ needs.environment-config.outputs.stable-python-version }}
       uses: actions/setup-python@v4
@@ -152,11 +152,11 @@ jobs:
 
     - name: Install dependencies
       run: |
-        pip install setuptools cython numpy twine
+        pip install pipx twine
 
     - name: Build package
       run: |
-        python setup.py sdist
+        python -m pipx run build --sdist
 
     - name: Check package build
       run: |

CHANGELOG.md

@@ -21,15 +21,18 @@ The rules for this file:
 ### Authors
 <!-- GitHub usernames of contributors to this release -->
 - ianmkenney
+- IAlibay
 
 ### Added
+- Support for Python 3.12 (PR #41)
 - mdahole2 confirmed to work on macOS and is now included in CI (PR #35)
 <!-- New added features -->
 
 ### Fixed
 <!-- Bug fixes -->
 
 ### Changed
+- Version handling is now handled via versioningit (PR #41)
 
 ### Deprecated
 <!-- Soon-to-be removed features -->

mdahole2/__init__.py

@@ -3,9 +3,6 @@
 A Python interface for the HOLE suite tools to analyze an ion channel pore or transporter pathway as a function of time or arbitrary order parameters.
 """
 
-# Handle versioneer
-from ._version import get_versions
-versions = get_versions()
-__version__ = versions['version']
-__git_revision__ = versions['full-revisionid']
-del get_versions, versions
+# Handle version
+from importlib.metadata import version
+__version__ = version("mdahole2")